4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline

C38H26BrN3 — CID 142505086

IUPAC4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(Br)c5ccccc45)c4ccc(-c5cccnc5)cc4n3)cc21
InChIInChI=1S/C38H26BrN3/c1-38(2)32-12-6-5-10-27(32)28-15-14-24(20-33(28)38)37-41-35-21-23(25-8-7-19-40-22-25)13-16-31(35)36(42-37)30-17-18-34(39)29-11-4-3-9-26(29)30/h3-22H,1-2H3
InChIKeyFGJGSFNGCKUTMT-UHFFFAOYSA-N
MW604.55 g/mol
LogP10.25
Rot. Bonds3

About 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline

4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline (PubChem CID 142505086) has the molecular formula C38H26BrN3 and a molecular weight of 604.55 g/mol. Its IUPAC name is 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline
PubChem CID142505086
Molecular FormulaC38H26BrN3
Molecular Weight604.55 g/mol
Exact Mass603.13
IUPAC Name4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(Br)c5ccccc45)c4ccc(-c5cccnc5)cc4n3)cc21
InChIInChI=1S/C38H26BrN3/c1-38(2)32-12-6-5-10-27(32)28-15-14-24(20-33(28)38)37-41-35-21-23(25-8-7-19-40-22-25)13-16-31(35)36(42-37)30-17-18-34(39)29-11-4-3-9-26(29)30/h3-22H,1-2H3
InChIKeyFGJGSFNGCKUTMT-UHFFFAOYSA-N
XLogP10.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.55
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-[4-phenyl-2-(3-pyridin-3-ylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167701
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264881
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-pyren-1-yl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264408
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)benzo[h]quinoline
CID 70836427
2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 134574320
4-(4-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262677
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264348
3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760889

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline?
The IUPAC name of 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline (CID 142505086) is 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(Br)c5ccccc45)c4ccc(-c5cccnc5)cc4n3)cc21.
What is the InChIKey of 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline?
The InChIKey is FGJGSFNGCKUTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26BrN3/c1-38(2)32-12-6-5-10-27(32)28-15-14-24(20-33(28)38)37-41-35-21-23(25-8-7-19-40-22-25)13-16-31(35)36(42-37)30-17-18-34(39)29-11-4-3-9-26(29)30/h3-22H,1-2H3.
What are the key properties of 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline?
4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline has a molecular weight of 604.55 g/mol, XLogP of 10.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromonaphthalen-1-yl)-2-(9,9-dimethylfluoren-2-yl)-7-pyridin-3-ylquinazoline is sourced from PubChem (CID 142505086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).